2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C13H9F3N6O2 — CID 70814905

IUPAC2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2ncn(C=Cc3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O2/c1-23-11-5-8(4-9(19-11)13(14,15)16)12-17-6-22(21-12)3-2-10-20-18-7-24-10/h2-7H,1H3
InChIKeyDBTUHUSXKIVYLZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 70814905) has the molecular formula C13H9F3N6O2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID70814905
Molecular FormulaC13H9F3N6O2
Molecular Weight338.25 g/mol
Exact Mass338.07
IUPAC Name2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2ncn(C=Cc3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O2/c1-23-11-5-8(4-9(19-11)13(14,15)16)12-17-6-22(21-12)3-2-10-20-18-7-24-10/h2-7H,1H3
InChIKeyDBTUHUSXKIVYLZ-UHFFFAOYSA-N
XLogP2.38
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

(Z)-isopropyl 3-(3-(2-isopropoxy-6-(trifluoromethyl)pyridin-4-yl)-1H-1,2,4-triazol-1-yl)acrylate
CID 53386231
pyridin-2-ylmethyl (Z)-3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 53386234
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-[(5-phenyltetrazol-1-yl)methyl]pyridazin-3-one
CID 153583037
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 153583057
2-[(Z)-2-[3-[2-methoxy-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 57524119
2-[(Z)-2-[3-[2-propan-2-yloxy-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 57524355
2-[(Z)-2-[3-[2-chloro-6-(trifluoromethoxy)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 57524426
propan-2-yl (E)-3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 66996966
Propan-2-yl 3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 66996967
pyridin-2-ylmethyl (E)-3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 66997090
Pyridin-2-ylmethyl 3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 66997092
(Z)-3-[3-[2-propan-2-yloxy-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]prop-2-enamide
CID 68175834

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 70814905) is 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is COc1cc(-c2ncn(C=Cc3nnco3)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is DBTUHUSXKIVYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6O2/c1-23-11-5-8(4-9(19-11)13(14,15)16)12-17-6-22(21-12)3-2-10-20-18-7-24-10/h2-7H,1H3.
What are the key properties of 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 338.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70814905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).